Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3987635 | 0.90 | CA2 (0.38) | CA2CA5ACA1CASP3CYP1A2 | |
| SCHEMBL3987632 | 0.85 | CTSD (0.41) | CA2CA5ACA1CASP3CYP1A2 | |
| SCHEMBL3989379 | 0.82 | ABCB1 (0.36) | CA2CA5ACA1CASP3CYP1A2 | |
| SCHEMBL4657183 | 0.78 | CTSL (0.47) | CA2CA5ACA1CTSDPSMB11 | |
| SCHEMBL3993261 | 0.77 | PSMB11 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3993264 | 0.77 | MAPT (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7788731 | 0.77 | CA4 (0.41) | CA2CA5ACA1CASP3CTSD | |
| SCHEMBL4656413 | 0.76 | SYK (0.51) | CA2CA5ACA1CTSD | |
| SCHEMBL13795951 | 0.76 | REN (0.34) | OPRK1BACE1 | |
| SCHEMBL3987520 | 0.75 | CTSL (0.41) | CASP3OPRK1CASP7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553969-B1 | Substituted phenethylamine derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-06-30 | — | — | US | disclosed |
| EP-1149843-A1 | SUBSTITUTED PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-10-31 | — | — | EP | disclosed |